Details of Natural Product (NP)

General Information of Natural Product (ID: NP0397)
  Natural Product Name
Thymoquinone
  Synonyms
Thymoquinone; 490-91-5; Thymoquinon; p-Cymene-2,5-dione; 2-Isopropyl-5-methyl-1,4-benzoquinone; 2,5-CYCLOHEXADIENE-1,4-DIONE, 2-METHYL-5-(1-METHYLETHYL)-; 2-Isopropyl-5-methyl-p-benzoquinone; 2-Isopropyl-5-methylbenzoquinone; p-Mentha-3,6-diene-2,5-dione; 2-Isopropyl-5-methylbenzo-1,4-quinone; 5-Isopropyl-2-methyl-1,4-benzoquinone; NSC 2228; 2-Isopropyl-5-methylcyclohexa-2,5-diene-1,4-dione; 2-Methyl-5-isopropyl-p-benzoquinone; 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione; NSC2228; 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione; UNII-O60IE26NUF; 2-Methyl-5-isopropyl-1,4-benzoquinone; O60IE26NUF; 2,5-Cyclohexadiene-1,4-dione, 5-isopropyl-2-methyl-; NSC-2228; 5-Isopropyl-2-methyl-p-benzoquinone; MFCD00001602; 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione; p-Mentha-3,6-diene-2,5-dione (8CI); 5-Isopropyl-2-methyl-2,5-Cyclohexadiene-1,4-dione; Polythymoquinone; CCRIS 7152; EINECS 207-721-1; BRN 1939047; thymolquinone; Thymoil; AI3-17758; 4hco; p-Mentha-3,5-dione; Spectrum_001237; SpecPlus_000457; Thymoquinone, >=98%; Spectrum2_000700; Spectrum3_001345; Spectrum4_001895; Spectrum5_000550; BSPBio_003129; KBioGR_002455; KBioSS_001717; DivK1c_006553; SCHEMBL542535; SPBio_000859; CHEMBL1672002; DTXSID9060079; KBio1_001497; KBio2_001717; KBio2_004285; KBio2_006853; KBio3_002349; Thymoquinone, analytical standard; CHEBI:113532; 2-Methyl-5-iso-propylbenzoquinone; BDBM166686; ZINC164367; BCP16946; HY-D0803; WLN: L6V DVJ B1 EY1&1; 2,4-dione, 5-isopropyl-2-methyl-; CCG-40027; s4761; AKOS003368628; MCULE-9899033250; NCGC00178250-01; NCGC00178250-05; AS-11327; 2-Isopropyl-5-methylbenzo-1,4-quinone #; 2,4-dione, 2-methyl-5-(1-methylethyl)-; CS-0012226; FT-0612708; T0795; T72517; A827656; SR-05000002192; Q7799650; SR-05000002192-2; W-202869; BRD-K97566842-001-03-5; Thymoquinone; 2-isopropyl-5-methylbenzo-1,4-quinone; 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione (F8); 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione, 9CI; ethyl 2-hydroxy-5-[[2-(trifluoromethyl)phenyl]carbamoyl]benzoate;Thymoquinon
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  Formula C10H12O2
  Weight 164.2
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
  InChI Key KEQHJBNSCLWCAE-UHFFFAOYSA-N
  Isomeric SMILES CC1=CC(=O)C(=CC1=O)C(C)C
  Canonical SMILES CC1=CC(=O)C(=CC1=O)C(C)C
  External Links PubChem ID 10281
CAS ID 490-91-5
NPASS ID NPC166788
CHEMBL ID CHEMBL1672002
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Nigella sativa
  Factor Name: Water Stress Treatment [1]
              Species Info Factor Info
               Experiment Detail
The seeds of N. sativa were collected in summer 1996 from Ghazvin. Seeds cultivated at the research station of Karaje, and field work was designed according to a split plot design where plants were exposed to water stress by withholding regular irrigations over 4(T1), 8(T2), 12(T3) and 16(T4) day period and 760 m3 ha-1. Water was only received by the plants during time of irrigation. After ripening of fruit, seeds were collected and their oils were isolated
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               Factor Function
Water stress was effective on content of essential oil. Thymoquinone that is one important medical compound in this plant, was 57.78% in irrigation over 12 days.
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               Factor Part Location NP Content
 
Irrigation over 4 days
 Seeds Hyderabad, India
NP Content: 31.2 %
 
Irrigation over 10 days
 Seeds Hyderabad, India
NP Content: 26.8 %
 
Irrigation over 12 days
 Seeds Hyderabad, India
NP Content: 54.8 %
 
Irrigation over 16 days
 Seeds Hyderabad, India
NP Content: 39.8 %
References
1 The Effect of Water Stress on the Seed Oil of Nigella sativa L.